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Target
Ryanodine receptor
Ligand
BDBM50238525
Substrate
n/a
Meas. Tech.
ChEMBL_1663697 (CHEMBL4013378)
EC50
39±n/a nM
Citation
 Takano, S; Tsuzuki, T; Murayama, T; Kameda, T; Kumaki, Y; Sakurai, T; Fukuda, H; Watanabe, M; Arisawa, M; Shuto, S Synthesis of 8-Substituted Analogues of Cyclic ADP-4-Thioribose and Their Unexpected Identification as Ca J Med Chem 60:5868-5875 (2017) [PubMed]  Article 
Target
Name:
Ryanodine receptor
Synonyms:
Ryanodine receptor
Type:
PROTEIN
Mol. Mass.:
597181.60
Organism:
Hemicentrotus pulcherrimus
Description:
ChEMBL_117340
Residue:
5317
Sequence:
MASQDAEDEVSFLRTGDQLNLVCSSQSLGHVLLGAEGFGNRNCVLEEASNQNVPPDLSICVFVLNQALSVRALQEMVITDQIDQGGQAGHRTLLYGHAMLLQHSLSSMHLACLPTSSSKDKLAFDVGLQESTQGEACWWTIHPVSKQRSEGEKVRVGDDLILVNVATERYLHLSVERDDQPMIVVASFQQTLWTVAPVSSGIVKIKAMAKKYGDTEKVLGFLNGLDTLRFSRGHMDEYLTVPPVGCKDDDNISEVSYDTGAVAQYARSLWRAELILKKWNGSYVSWGPPCRIRHLTSGKYLAVLENGTVCIVPRKSCNLDDTIFCFQQSREDLANYDSKQDHGMGSADIKYGDSTVLIQHMKTGHWLSYLVVESVVGGRAAERKVVMLPEGHMDDGFSVVRARAEESRSAGIIRKSTLLFNQFFDALDSLRGEKEDDQLAWNSFNLSSVVDILEDLIEYFGEPEEDEDHEEKQKKLKALRNRQDLFHEEGMVKLVLETIDKLSIFKSGRDFAAIVGEDAGDLWQDIVTYLYKLLAAMIRHNHNNCALFAQSVRLDWLINRLESQQASKGVLEVLHCVLLGSPEALNIIKENHIKSMISQLEKHGRDPKVLDVLCSLCVGNGVAVRSNQNLICDNLLPSRDLLLQTAVVDEVVCMRPNVSISVDKNSTVYKKWYFEVAIDKQEAGTSRPVHFRVGWATTQGFRTYLRGGEGWGNSGVVDDLYSFGFDGLNLWTGGVSKAAPWSGNRLLSKGDIVGVCFDLSVPRILYHVNGSPIKASFEGINLEGMFFPVLSFSARVCARFILGGKHGRFKYSPPKGFAAVCESVLPKERLKIEPCFALGHVTEGIIQGPTASQDHSAFIPAPVDTANVNLPGYIEMLRDKLAENIHELWCMNKIEAGWTWGPVRDDSKKVHDSLMFFSSLSEQEKNFDITMAYETLRTLMALGYHISIDEETSKSTLKRLRLPMNYLMSNGYKPAPYNLSTIHLNVKMEKLVELLAENAHNVWAKDRIAQGWTYGLSEETSYKRNPQLVPYNQLNDQAKKLNRDTASETIRTILGFGYALEPPTNEGQSDPSFRGLAREISDKKSHTRTFRAEKSYAVKSGRWYFEFEAMTTGYMRVGWGRPTIAARSEVGTDGCSFAFDGFLARKWHQGSETFGKTWGEMDVIGCMLNLVDNTISFTMNGEYLCDSVGSEMAFHDIEIGEGFVPVCMLAAGEKAHLHFGQDVNDLKYFTVCGLQEGYEPFCVNMKKSMPLWYSKSQPMFQSIEDEHDRLGITRIPAGIEGPPCLKVSHKKCGTVENLPTEYLRLSMPVVCKDFPTSGEMVLSIPVPVLSPGNKRGQWIQQGATSLDLSETDSNDGTNRRTRSGLDKMEHKAIDTDAIDGDARVNGYNGDTKELTKKEKKKLASLPLGRKIPMSRAASSETSTVQSPDSSFERSGPSPAKSKRSKFTKSSSMDSGAKHPEDTLAKPTGYEVDGQRSPGAARRGKKHDRLRTPEASPPGTLTREYIPLKSDNEGSVGSDNHGRPRLAKLVSMGSSFDVFSKSIDIMSDISEADSIDLSMMTKFYYSVRIFPGQDPTDIHVGWVTPGYHHYSPHFDPSKTSEVTVNMLGENGGVQESSKRRDCFTVCVGDHMDLLITPEGRRISSGLVVGCVVDACNGELYFTINGRDISTKYQVEPKTKLFPAVFVKPTSKEMLQFELGRSKILERRSSSVQSEIAQMSVNQNCLPLSAAWFRGDTHNPTPQCPSRVEVQVMYTNTWARAPLQTMNIETKKMSDNNGWLVSCPEPVSWLGVHIPEENRCMDILELVEHEDLLKFHAHTLRLYCSVCSHGNHHVAHALINHVNEDQLMYCLQCPYISGPLRIGYYNLLHALHLQTHVSARLKTQDEFIIPLMAGPKPVDEELDISSSMSIKRALSTTKSVSIRPQLNIGPSADSSHQSFSQSMKASEQAPPGFNHMVLKQHVISSLGEAVAHGVSHCRDPIGGNYNNLFVPLLELCDALLVIGEFDDDDLKSLLILIDPATFDETYKKGVSETVGMLQMHLDEPVKLAMCFLLQHLCDSQLRHRVESIINFSDDFVEECQADQLRRFLEVRNTDMPPVIAAKKTREFRSTPQEQMRMLLHFKDGDDGMCPCREDLRSVLLEFHSTLAKHCGVHETQEEKSTDSRGVIRRFLSWLSGSRKDASPAGAILQEKFSSDSLSHLISNTMIKWAEEKHIEDPTLVREMFNLLHRQYDGVGELCSALQKSYVVSSNQRDDIVHLLTSLGQIRSLLTVQMGSVEEEALIKHLWEVTDNKVFYQHPDLMRALCVHETVMNVMVNVLEKHQTSIQLTSDEEAESSAQGQGVTGASTAAAPPKTQVCVYRFLARRARMCHSKDRFARALIAGCCRFLCYFCRTSRQNQRALFDTLLYLLDHGFIGLSYPSLRGSCPLDVAAASLMDNNELALALREQHLEKVITFLSRCGVQDNARLRAMGNPYLDGTPLDGERYLDFMRHAVWVNGETVEENANLIVRMLIRHPECLGPALRGEGKGLLAAMEEAIDLSETAEEGYLISAPTMAISEEDGEVRPIDASGQDEEGDEDEDDVDTGGAILTFYATLIDLLGRCAPDENRLSQGRTEPQRIRAILQSLVPLDDLVGVLNLKFILPSPQKIYEKKDDGAGKPLGADLKGLTPVHKEAMLLFLERVYGVGNQELFFELLEVGFLPDLRAATTMDTPTTHDHDMALALNRYICNSVLPLLTRHSEMFESADQFASLLDSTLHTVYRLASCRSLTRGQRDTVADFLVALTRSLKPSMMQRLLRKLINDVPVLAEYSYVALKILQLHYERCVSYYGSNGGWGSYGAANDEEKRLTMMLFTGLFDALAEKEYDEELFDRALPCLTAIGSALPPDYSMSYNDESYVRESCFDADGIYQPKPVDSNKVLLNESLLSFSDRFAEHLHDSWALAMFDNGWTHGEAENSAMKESCMLRPYKTLTTKEKDSYREPVRECIKALLAWGWSVERSKASEQQSQAHRPRRLSKASLGAMESPHGYNPRPIDVSNITLTREMQTMAERLAENAHDVWAKKTKLEMELRGSGCHAQLVPFDILTDSEKKKDRDMAQALLKFLQVNGYRLQRHSLSMDADGIIRGHSTIEKRFAFNLLDKLLHYVDKSQANLKPQRRQQDSFRSSKKESSGDRGYKFFAKVVLPLIEKYFQAHSSYFVADPNAPQNGRSGGASTREKELVSSLFCKLAQLIRQKINLFGRDLVPFIRCIRVVAQSIDASSVVKHSADAIKNGLLVFFRHASDDLVATVDSVTSGGRFTHIKSNQVHKHSLAVNYVPGVLVPVLISLFQHLARHNYGADLLLDQIQVYCYRILSCLYKVGADQSIYVKKLRPAVGELLAAFSGAFPVAFLEPHLNKNNPNSLLGQIELRGATVEGKEELIKLAAGIPTLPAVVTEIDKMAMSGAKYDQAPHIIEVILPMLCSYLNYWWQQGPDNICRRQGNYWTMVNSGNLNNTLGNVLTLVKNNLGSENAPWMSRIAATAKPILNDAQPELLKTHFVPVIEKLEERTSKVFKAEEDLKKEYPMGGQEMEETEFAILEDYHLIIRDLYASYPLLIKFVDSQRSQWLKSPSIDAEKLYYKVASIFNSWARSANFRREEQNYVAQTEVDSSAALTSAMSKSGGGNGNFSYGGSLPGEPPKLQSTAPKRPDGQHGSPPSLILAALKRLLPIGMNQYGAREQELVQQAKLMFGQKETDKEVRDYLLQQLHLHEKEKVEETARLTALGHAQSSISPKPSVSFSSSPPSSSSPASAPALATSSSSATSTTSTSSSSSSSSSSSSPSSPPSSSVDPQDSTKPSRIRTRRQSIAAWQTAASRVTGAHITQSDSKGWQRHLYNNMAASKLVQVVELTKDKVIERIMNMAQVLNRLHQMEHPSMSKKNAWRRLMSAQRKRAIMACFRMIPLHHLPRHRAINFFLKAYKERWLSNEESAQHLLIDDLTKCSSEELQEFEPENVKDPLYQLISTFSRAFGLQQDMLEEDPLYLSYAAIMSTSCSGGEDDDDDDDGGDENGTSFQEQEMEKQKLLSEQARLAERGCAEMVLLLISASKGEPSDMVFCSLKLGISLLRGGNEMVQRKMLEHLQDKMDVGFFTSVAELMEKCTVLDLEAFERYNKAEGLGVTSGENAGCDGLRAGEKAMHDAEFTCALFRFLQLLCEGHNLEFQNYLRTQAGNHTTVNIIICTVDYLLRLQESISDFYWHYSGKDVVDAQGRENFSRAFKVVKQVFSSLTEYIQGPCSGNQLALAHSRLWDAVVGFLHIFANLQKKLSQDTSQLELLRDLLNLHKEMVVMLLSMLEGNVMHGTTGKQMVDTLVESSSNLEMILKFFDMFLKLKDLSSSDAFREFDANGDGWISHKEFQKAMEAQKMYTVDEIDYLLKCADRNNDGRIDFNEFTERFHGPAQDIGFNLAVLLTNLNDHMPGERRLERFLLQAESLLTYFEPYLGRIEIMGSSRGIERVYFKITESHKAQWEKPQIKESKQQFLHEVVNEGGEKEKLEDFVNFCEDTIFEMQHATSISDTGESLPEVFMSLLTFGASRDSNNWLVWLVRGMRPSNICRLMGDFFSSSQYNIKQIRSLSLFRLFFGVIKLIFLGVFKLFKFAFVIVGKLIGLLVGTRILEDAREITGSIKHSLHVPRVARRQTSSIINVPGYGMPSARRNTSFWQYLTSQYFTNVNSMDTVSAFGIDFLKGKGGGGGGGAGGTDQYKLRMRRKRRPLTPSSSFDFDEEMSMDNMPTHTPSEASDSSFDSGAMAKNDFSMPDMSAGRRDSTVFPSLFLATEMPSTQVKEEEEEEEPVYEPQMNRVKQTVVSLFARNFYNIKYVALALVFCINILLLFFKVSYLTAELEEVDPYHPVEILENATSPNGADMAGDEDRVDDQIEQILINQQFMYLVPVLQVLSILHSLVSISMLIAYCALKVPLCLFKREKEIARKLEFDGQWITEQPTRDDIKGQWDSLAISTVSFPVYYWDKFVKKKVLKKYEDAVGEDKLCAMLGMEIGENPMAGNPTENPNQGLFSSMLTSLDWKYHIWKCGVIGTDNSFLYIAWYLLFSLLGHINPFFFAAHLLDIAMGFKTLRTVLQSVTHNGKQLVLTLMMTCVIIYLYTVLAFNFFRKFYTKDDEGEIEYKCHNMMSCFVFHLHSGLRAGGGIADEIEAPDGDVYEYYRIIFDITFFFFVIVILLAIIQGLIIDAFGELRDQLEQVREDMETKCFICSIGREYFDKLPHGFELHTSKEHDLSNYMFFLMYLINKPETEHTGQESYVWQLYQQRCWDFFPVGDCFRKQYDDEQA
  
Inhibitor
Name:
BDBM50238525
Synonyms:
CHEMBL4106291
Type:
Small organic molecule
Emp. Form.:
C15H21N5O12P2S
Mol. Mass.:
557.366
SMILES:
[H][C@]12COP(O)(=O)OP([O-])(=O)OC[C@@]3([H])S[C@]([H])([C@H](O)[C@@H]3O)[n+]3cnc4n(cnc4c3N)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|
Structure:
Search PDB for entries with ligand similarity: